AC1Q5ZML
methyl 7'-ethyl-1',4'a,7'-trimethylspiro[1,3-dithiolane-2,8'-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene]-1'-carboxylate
Also Known As: Adenosine,2-(trifluoromethyl)-(7CI,8CI,9CI)|methyl 2'-ethyl-2',4b',8'-trimethyldodecahydro-2'h-spiro[1,3-dithiolane-2,1'-phenanthrene]-8'-carboxylate|methyl 7'-ethyl-1',4'a,7'-trimethylspiro[1,3-dithiolane-2,8'-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene]-1'-carboxylate|Methyl 2'-ethyl-2',4'b,8'-trimethyldodecahydro-2'H-spiro[[1,3]dithiolane-2,1'-phenanthrene]-8'-carboxylate
| Molecular Formula | C23H38O2S2 |
|---|---|
| Molecular Weight | 410.23132 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.23132 |
| Monoisotopic Mass | 410.23132 |
| Heavy Atoms | 27 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 4627-50-3 |
|---|---|
| SMILES | CCC1(CCC2C(C13SCCS3)CCC4C2(CCCC4(C)C(=O)OC)C)C |
| InChIKey | OYCPIYLGNKGHOM-UHFFFAOYSA-N |
Product Overview
AC1Q5ZML (CAS 4627-50-3), with molecular formula C23H38O2S2 and molecular weight 410.23132 g/mol. IUPAC: methyl 7'-ethyl-1',4'a,7'-trimethylspiro[1,3-dithiolane-2,8'-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene]-1'-carboxylate.
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